3EM4
Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, U, V) | Protease | polymer | 99 | 10829.8 | 4 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | E, K (A, V) | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | non-polymer | 704.9 | 2 | Chemie (DR7) | |||
| 3 | F, G, H, I, J... (A, B, U, V) | PHOSPHATE ION | non-polymer | 95.0 | 7 | Chemie (PO4) | |||
| 4 | N, O, P, Q (A, B, U, V) | water | water | 18.0 | 156 | Chemie (HOH) |
Sequence modifications
A, B, U, V: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Leu 50 | Ile 540 | engineered mutation |
| Val 71 | Ala 561 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 43319.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2074.5 | |
| All* | Total formula weight | 45393.8 |
